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Methyl isocyanide

  • Name Methyl isocyanide
  • EINECSN/A
  • CAS No. 593-75-9
  • Density0.7424
  • PSA0.00000
  • LogP-0.23380
  • Solubility91g/L(15 oC)
  • Melting Point-45°C
  • FormulaC2H3 N
  • Boiling Point81.65°C (estimate)
  • Molecular Weight41.0525
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceN/A
  • SafetyPoison. A shock- and heat-sensitive explosive. Explodes when heated in a sealed container. Has exploded on distillation. When heated to decomposition it emits highly toxic fumes of CN and NOx. See also NITRILES.
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 593-75-9 (METHYL ISOCYANIDE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data66

Methyl isocyanide Chemical Properties

Molecule structure of Methyl isocyanide (CAS NO.593-75-9) :

IUPAC Name: isocyanomethane 
Molecular Weight: 41.05192 g/mol
Molecular Formula: C2H3N
Melting Point: -4.50E+01 deg C 
Boiling Point: 59.6 deg C 
pKa Dissociation Constant: -4.30E+00 
log P (octanol-water): -0.150 
Water Solubility: 1.37E+05 mg/L 
Vapor Pressure: 122 mm Hg 
Henry's Law Constant: 3.06E-05 atm-m3/mole 
Atmospheric OH Rate Constant: 2.58E-14 cm3/molecule-sec
H-Bond Acceptor: 1
Exact Mass: 41.026549
MonoIsotopic Mass: 41.026549
Topological Polar Surface Area: 4.4
Heavy Atom Count: 3
Complexity: 29.3
Canonical SMILES: C[N+]#[C-]
InChI: InChI=1S/C2H3N/c1-3-2/h1H3
InChIKey: ZRKSVHFXTRFQFL-UHFFFAOYSA-N
EINECS: 209-806-9

Methyl isocyanide Uses

 Methyl isocyanide (CAS NO.593-75-9) is mainly used for making 5-membered heterocyclic rings. Methyl isocyanide is useful for the preparation of various heterocycles. It is also a ligand in organometallic chemistry.

Methyl isocyanide Production

Methyl isocyanide was first prepared Gautier by reaction of silver cyanide with methyl iodide.[1][2] The common method for preparing methyl isocyanides is the dehydration of N-methylformamide.

Methyl isocyanide Consensus Reports

Community Right-To-Know List.

Methyl isocyanide Safety Profile

Poison. A shock- and heat-sensitive explosive. Explodes when heated in a sealed container. Has exploded on distillation. When heated to decomposition it emits highly toxic fumes of CN and NOx. See also NITRILES.

Methyl isocyanide Specification

 Methyl isocyanide (CAS NO.593-75-9) is also called Isocyanomethane ; Methane, isocyano- . Methyl isocyanide (CAS NO.593-75-9) is an organic compound and a member of the isocyanide family. This colorless liquid is structurally similar to the isomeric methyl cyanide (acetonitrile), but its reactivity is very different.

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